4-methylidene-5-oxopyrrolidine-2-carboxylic acid

C6H7NO3 — CID 22266881

IUPAC4-methylidene-5-oxopyrrolidine-2-carboxylic acid
SMILESC=C1CC(C(=O)O)NC1=O
InChIInChI=1S/C6H7NO3/c1-3-2-4(6(9)10)7-5(3)8/h4H,1-2H2,(H,7,8)(H,9,10)
InChIKeySKPUMUJWZJBTJG-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.48
Rot. Bonds1

About 4-methylidene-5-oxopyrrolidine-2-carboxylic acid

4-methylidene-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 22266881) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-methylidene-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methylidene-5-oxopyrrolidine-2-carboxylic acid
PubChem CID22266881
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name4-methylidene-5-oxopyrrolidine-2-carboxylic acid
SMILESC=C1CC(C(=O)O)NC1=O
InChIInChI=1S/C6H7NO3/c1-3-2-4(6(9)10)7-5(3)8/h4H,1-2H2,(H,7,8)(H,9,10)
InChIKeySKPUMUJWZJBTJG-UHFFFAOYSA-N
XLogP-0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methylidene-5-oxopyrrolidine-2-carboxylic acid (CID 22266881) is 4-methylidene-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methylidene-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methylidene-5-oxopyrrolidine-2-carboxylic acid is C=C1CC(C(=O)O)NC1=O.
What is the InChIKey of 4-methylidene-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is SKPUMUJWZJBTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-3-2-4(6(9)10)7-5(3)8/h4H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of 4-methylidene-5-oxopyrrolidine-2-carboxylic acid?
4-methylidene-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22266881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).